methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

C11H16N2O4S — CID 135316806

IUPACmethyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(C2CCCC2)=NS(=O)(=O)N1C
InChIInChI=1S/C11H16N2O4S/c1-13-10(11(14)17-2)7-9(12-18(13,15)16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyQQYKECOOVWLDDR-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.86
Rot. Bonds2

About methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (PubChem CID 135316806) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
PubChem CID135316806
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(C2CCCC2)=NS(=O)(=O)N1C
InChIInChI=1S/C11H16N2O4S/c1-13-10(11(14)17-2)7-9(12-18(13,15)16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyQQYKECOOVWLDDR-UHFFFAOYSA-N
XLogP0.86
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-(4,4-difluorocyclohexyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 159171886
Ethyl 5-(4,4-difluorocyclohexyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 161205696
ethyl 5-[(5R)-3-bicyclo[3.1.0]hexanyl]-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 160438233
Ethyl 5-cycloheptyl-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 160807727
Ethyl 5-cyclopent-3-en-1-yl-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 161311528
Ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 161351178
Ethyl 2-methyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 161511457
Ethyl 5-cyclohexyl-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 161810543

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (CID 135316806) is methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is COC(=O)C1=CC(C2CCCC2)=NS(=O)(=O)N1C.
What is the InChIKey of methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is QQYKECOOVWLDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13-10(11(14)17-2)7-9(12-18(13,15)16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopentyl-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 135316806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).